SCHEMBL6095679

SCHEMBL6095679

C1=Cc2cc3ccccc3cc2[C](c2ccccc2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
RAB9A P51151 2/20 0.35
MAOB P27338 1/20 0.35
PTGS2 P35354 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
HPGD P15428 2/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 3/20 0.30
KMT2A Q03164 3/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8026582 0.77 ALDH1A1 (0.33) ALDH1A1KDM4EHPGDTP53TSHR
SCHEMBL5794930 0.74 ALDH1A1 (0.40) ALDH1A1KDM4ERAB9AMAOBHPGD
SCHEMBL30034697 0.74 ALDH1A1 (0.40) ALDH1A1KDM4ERAB9AMAOBHPGD
SCHEMBL27714246 0.74 ALDH1A1 (0.35) ALDH1A1HPGDTP53TSHRMAPK1
SCHEMBL30785943 0.74 ALDH1A1 (0.33) ALDH1A1KDM4EHPGDTP53TSHR
SCHEMBL29511696 0.74 ALDH1A1 (0.35) ALDH1A1HPGDTP53TSHRMAPK1
SCHEMBL7931395 0.74 ALDH1A1 (0.33) ALDH1A1HPGDTP53TSHRMAPK1
SCHEMBL1941943 0.74 CYP1A2 (0.34) ALDH1A1RAB9AHPGDTP53TSHR
SCHEMBL21385218 0.74 CYP1A2 (0.34) ALDH1A1HPGDTP53TSHRMAPK1
Hydrochloric Acid SCHEMBL29481477 0.73 ALDH1A1 (0.39) ALDH1A1KDM4ERAB9AMAOBHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067670-B2 Sulfamato hydroxamic acid metalloprotease inhibitor WARNER LAMBERT COMPANY (US) 2006-06-27 US disclosed
US-20050049280-A1 Sulfamato hydroxamic acid metalloprotease inhibitor PHARMACIA CORPORATION 2005-03-03 US disclosed
US-6800646-B1 Sulfamato hydroxamic acid metalloprotease inhibitor PHARMACIA CORPORATION 2004-10-05 US disclosed
US-6492367-B1 Sulfamato hydroxamic acid metalloprotease inhibitor G. D. SEARLE & COMPANY 2002-12-10 US disclosed
US-6448250-B1 INHIBITS THE ACTIVITY OF ONE OR MORE OF THE FOLLOWING MATRIX METALLOPROTEINASES: MMP-2, MMP-9, AND MMP-13, WHILE EXHIBITING SUBSTANTIALLY LESS INHIBITORY ACTIVITY AGAINST MMP-1 G. D. SEARLE & COMPANY 2002-09-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050049280-A1 Sulfamato hydroxamic acid metalloprotease inhibitor MMP14, MMP12, MMP17 ALDH1A1 784/4885KDM4E 2436/4885RAB9A 3051/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.